Ligand · J5N

J5N · ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

J5N, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide…

Component: J5N
Formula: C29 H36 F N5 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

J5N in 2 structures; the first of them:

6QL8 · Cathepsin-K in complex with MIV-711 · J5N A301 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, SER58, GLU59 and 14 more
6QL8 · Cathepsin-K in complex with miv-711 · J5N A301 · binds GLN19, GLY23, SER24, CYS25, TRP26, SER58, GLU59, ASN60 and 11 more

Residues it binds most

GLY 2, ASN 2, SER 2, ALA 2, CYS 2, LEU 2, ASP 2, GLN 2, GLU 2, HIS 2 (residue and the binding sites it lines).

Found with

NO3 · Nitrate ion

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